SCHEMBL2167534

SCHEMBL2167534

Nc1nc2c(c(N3CC4CNC4C3)n1)CCCc1ccccc1-2

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 12/20 0.66
HRH3 Q9Y5N1 3/20 0.52
HRH1 P35367 3/20 0.52
HRH2 P25021 2/20 0.52
BCHE P06276 1/20 0.42
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
CHRNB2 P17787 4/20 0.36
CHRNB4 P30926 4/20 0.36
CHRNA3 P32297 4/20 0.36
CHRNA4 P43681 4/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2167537 1.00 HRH4 (0.66) HRH4HRH3HRH1HRH2BCHE
SCHEMBL14084002 0.91 HRH4 (0.71) HRH4HRH3HRH1HRH2BCHE
SCHEMBL14084005 0.91 HRH4 (0.71) HRH4HRH3HRH1HRH2BCHE
SCHEMBL14084007 0.90 HRH4 (0.64) HRH4HRH3HRH1HRH2BCHE
SCHEMBL2166385 0.89 HRH4 (0.63) HRH4HRH3HRH1HRH2BCHE
SCHEMBL606390 0.88 HRH4 (0.70) HRH4HRH3HRH1HRH2BCHE
SCHEMBL14084037 0.84 HRH4 (0.74) HRH4HRH3HRH1HRH2BCHE
SCHEMBL14084019 0.84 HRH4 (0.70) HRH4HRH3HRH1HRH2BCHE
SCHEMBL606346 0.83 HRH4 (0.67) HRH4HRH3HRH1HRH2BCHE
SCHEMBL14084054 0.83 HRH4 (0.68) HRH4HRH3HRH1HRH2BCHE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735411-B2 Macrocyclic benzofused pyrimidine derivatives ABBVIE INC. (US) 2014-05-27 US claimed
US-7985745-B2 Including inflammatory pain, post surgical pain, and neuropathic pain; administering a histamine H4 receptor ligand alone or in combination with a histamine H1, H2, or H3 receptor antagonist or an enzyme inhibitor ABBOTT LABORATORIES (US) 2011-07-26 US claimed
US-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives ABBVIE INC. 2008-08-07 US claimed
US-8735411-B2 Macrocyclic benzofused pyrimidine derivatives ABBVIE INC. (US) 2014-05-27 US disclosed
US-7985745-B2 Including inflammatory pain, post surgical pain, and neuropathic pain; administering a histamine H4 receptor ligand alone or in combination with a histamine H1, H2, or H3 receptor antagonist or an enzyme inhibitor ABBOTT LABORATORIES (US) 2011-07-26 US disclosed
US-20080194538-A1 Method for Pain Treatment ABBVIE INC. 2008-08-14 US disclosed
US-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives ABBVIE INC. 2008-08-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives DPYD, TYMS, UMPS HRH4 3013/4885HRH3 3492/4885HRH1 2660/4885
US-20080194538-A1 Method for Pain Treatment HRH4, HRH3, HRH2 HRH4 1/4885HRH3 2/4885HRH1 4/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.